SCHEMBL4662964

SCHEMBL4662964

COc1ccccc1OCC(=O)C1=C(O)C(CCCc2ccccc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CDC25B P30305 2/20 0.38
CDC25A P30304 1/20 0.38
DUSP3 P51452 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HPSE Q9Y251 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4662958 0.94 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNAHSD17B10CDC25B
SCHEMBL4664730 0.87 POLB (0.48) SMN1; SMN2POLBLMNAHSD17B10CDC25B
SCHEMBL4664798 0.80 KDM4E (0.54) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL4664907 0.79 ALDH1A1 (0.48) SMN1; SMN2LMNAHSD17B10HPGDMEN1
SCHEMBL4663302 0.78 PLAAT3 (0.52) SMN1; SMN2POLBLMNAHPGDKMT2A
SCHEMBL4662986 0.77 SMN1; SMN2 (0.42) SMN1; SMN2POLBLMNAHSD17B10CDC25B
SCHEMBL4664983 0.77 HPGD (0.52) SMN1; SMN2POLBLMNAHSD17B10HPGD
SCHEMBL4665011 0.75 SMN1; SMN2 (0.45) SMN1; SMN2POLBLMNAHSD17B10MEN1
SCHEMBL4663057 0.75 CDC25B (0.36) SMN1; SMN2LMNACDC25BCDC25ADUSP3
SCHEMBL4664852 0.74 TDP1 (0.49) SMN1; SMN2LMNACDC25BCDC25ADUSP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885LMNA 1625/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885LMNA 1625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.